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NCID-ZINC01644073

 MMsINC code: MMs02285303
Type: Neutral
Formula: C10H13ClO2S
SMILES:   ClOS(=O)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C10H13ClO2S/c1-10(2,3)8-4-6-9(7-5-8)14(12)13-11/h4-7H,1-3H3/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=70.2276 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.731 g/mol  logS: -4.82639  SlogP: 3.1771  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115671  Sterimol/B1: 2.33406  Sterimol/B2: 3.48563  Sterimol/B3: 4.07447
  Sterimol/B4: 4.90487  Sterimol/L: 13.3224 
 
 Surface and Volume Properties
  Accessible surface: 423.434  Positive charged surface: 207.489  Negative charged surface: 215.945  Volume: 207.5
  Hydrophobic surface: 318.604  Hydrophilic surface: 104.83
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.